[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate

C18H16FNO3 — CID 147193962

IUPAC[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate
SMILESO=C1CCN(OC(=O)c2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)23-18(22)14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyCBZHCGJYLBXYQV-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.30
Rot. Bonds3

About [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate

[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate (PubChem CID 147193962) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate
PubChem CID147193962
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate
SMILESO=C1CCN(OC(=O)c2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)23-18(22)14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKeyCBZHCGJYLBXYQV-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate?
The IUPAC name of [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate (CID 147193962) is [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate is O=C1CCN(OC(=O)c2ccccc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate?
The InChIKey is CBZHCGJYLBXYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)17-12-16(21)10-11-20(17)23-18(22)14-4-2-1-3-5-14/h1-9,17H,10-12H2.
What are the key properties of [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate?
[2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate has a molecular weight of 313.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-oxopiperidin-1-yl] benzoate is sourced from PubChem (CID 147193962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).